Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29788583 | 0.79 | KDM4E (0.68) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 | |
| SCHEMBL375580 | 0.79 | KDM4E (0.68) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 | |
| SCHEMBL31634065 | 0.78 | CHEK1 (0.45) | ALDH1A1SMN1; SMN2CHEK1SIRT6MAPT | |
| SCHEMBL31634032 | 0.78 | ALDH1A1 (0.44) | CYP2D6CYP1A2CYP2C19NPC1ALDH1A1 | |
| SCHEMBL27958219 | 0.77 | CYP2D6 (0.66) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 | |
| SCHEMBL15720773 | 0.77 | LMNA (0.47) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 | |
| SCHEMBL12856164 | 0.76 | ALDH1A1 (0.55) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 | |
| SCHEMBL12312133 | 0.76 | TMEM97 (0.54) | CYP2D6CYP1A2CYP2C19ALDH1A1RAB9A | |
| SCHEMBL29788525 | 0.76 | HTT (0.59) | KDM4EALDH1A1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL11962581 | 0.75 | SMN1; SMN2 (0.46) | ALDH1A1RAB9ASMN1; SMN2CHEK1SIRT6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019190259-A1 | NOVEL SULFONAMIDE DERIVATIVE HAVING INHIBITORY EFFECT ON EPIDERMAL GROWTH FACTOR RECEPTOR MUTATION | 한미약품 주식회사 | 2019-10-03 | — | — | WO | disclosed |